(3S)-3-(3-methanesulfonylphenyl)-1-propylpiperidine hydrochloride

• ChemBase编号: 153267
• 分子式: C15H24ClNO2S
• 平均质量: 317.87456
• 单一同位素质量: 317.12162769
• SMILES: CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)C.Cl
• Canonical SMILES: CCCN1CCC[C@H](C1)c1cccc(c1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18;/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3;1H/t14-;/m1./s1
• InChIKey: LEMGVHZVBREXAD-PFEQFJNWSA-N

名称和登记号

名称

• IUPAC标准名: (3S)-3-(3-methanesulfonylphenyl)-1-propylpiperidine hydrochloride
• IUPAC传统名: (3S)-3-(3-methanesulfonylphenyl)-1-propylpiperidine hydrochloride
• 别名: PNU-96391; PNU-0096391; OSU-6162; (S)-(-)-(3-methanesulfonyl-phenyl)-1-propyl-piperidine hydrochloride; (S,S)-3-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine hydrochloride; OSU6162 hydrochloride

登记号

• CAS号: 156907-84-5
• MDL号: MFCD09753276
• PubChem SID: 162247406
• PubChem CID: 9836644

理论计算性质

• Acid pKa: 19.697733
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.45304558
• LogD (pH = 7.4): 2.001642
• Log P: 2.2589512
• 摩尔折射率: 79.9729 cm^3
• 极化性: 31.75456 Å^3
• 极化表面积: 37.38 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: ≥16 mg/mL
• 外观: white to tan powder
• 比旋光度: [α]/D -5 to -7°, c = 1 in methanol

安全信息

• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C15H23NO2S·HCl

详细说明

Sigma Aldrich - PZ0177

Legal Information
Sold for research purposes under agreement from Pfizer Inc.
Biochem/physiol Actions
OSU6162 (PNU-96391) is a dopamine stabilizer, a drug that can stimulate or inhibit dopaminergic signaling depending on the dopaminergic tone. Dopaminergic stabilizers have been proposed to act as partial dopamine receptor agonists or as antagonists with both dopamine and behavioral stabilizing activity. Although affinity is not high (in vitro binding affinity for dopamine D2 receptor has a Ki of 447 nM), OSU6162 shows a high level of receptor occupancy.